Receptor
PDB id Resolution Class Description Source Keywords
6E5F 1.37 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LPQN INVOLVED IN CELL ENVELOPE BIOGENES MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) LIPID BINDING PROTEIN (6DDTRE)LAURYL-6-TREHALOSIDE
Ref.: STRUCTURAL AND FUNCTIONAL EVIDENCE THAT LIPOPROTEIN SUPPORTS CELL ENVELOPE BIOGENESIS INMYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 294 15711 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L6T A:301;
Valid;
none;
submit data
510.615 C24 H46 O11 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E5F 1.37 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF LPQN INVOLVED IN CELL ENVELOPE BIOGENES MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) LIPID BINDING PROTEIN (6DDTRE)LAURYL-6-TREHALOSIDE
Ref.: STRUCTURAL AND FUNCTIONAL EVIDENCE THAT LIPOPROTEIN SUPPORTS CELL ENVELOPE BIOGENESIS INMYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 294 15711 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6MNA - U2D GLC n/a n/a
2 6E5F - L6T C24 H46 O11 CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6MNA - U2D GLC n/a n/a
2 6E5F - L6T C24 H46 O11 CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6MNA - U2D GLC n/a n/a
2 6E5F - L6T C24 H46 O11 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: L6T; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 L6T 1 1
2 U2D GLC 0.591549 0.954545
3 CQX 0.544118 0.953488
4 BOG 0.539683 0.930233
5 BNG 0.539683 0.930233
6 HSJ 0.539683 0.930233
7 LMT 0.535211 0.976744
8 DMU 0.535211 0.976744
9 UMQ 0.535211 0.976744
10 LMU 0.535211 0.976744
11 KGM 0.52381 0.930233
12 B7G 0.52381 0.930233
13 GLC G6P 0.515625 0.634615
14 GLC U8V 0.5 0.795455
15 AFO 0.492063 0.844444
16 HEX GLC 0.484375 0.906977
17 JZR 0.484375 0.906977
18 BHG 0.484375 0.906977
19 BHE 0.467532 0.954545
20 BGC GLA GAL 0.453125 0.767442
21 10M 0.448718 0.913043
22 HSH GLA FUC 0.444444 0.954545
23 GLC NBU GAL GLA 0.426667 0.906977
24 4YA 0.423077 0.954545
25 AOG FUC 0.419753 0.792453
26 DEG 0.415385 0.837209
27 GLC GLC 6X6 0.406977 0.693878
28 BGC 5VQ GAL GLA 0.405405 0.860465
29 OPM MAN MAN 0.402439 0.953488
30 MK0 0.4 0.773585
31 FUC GAL 0.4 0.767442
Similar Ligands (3D)
Ligand no: 1; Ligand: L6T; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6E5F; Ligand: L6T; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6e5f.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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